(1s 2 2s 2 2p 1 4d 1 ) 3 D Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 4d- electron | |
| 1 | 3d | 1.784913 | 1.22050638 |
| 2 | 4d | 1.497189 | -1.75933487 |
| 3 | 3d | 3.406808 | .03703624 |
| 4 | 5d | 7.177227 | .00526250 |
| 5 | 4d | 9.019984 | .00639914 |
| 6 | 5d | 11.666289 | -.00091237 |
| 7 | 3d | 14.064927 | .00046627 |
| 8 | 5d | 1.380730 | .02603749 |
| ORB.ENERGY,a.u. | -1.161000 | ||
| NORM | 1.000001 | < R > | 3.369565 | < R2 > | 13.019203 | < 1/R > | .395247 | < 1/R**2 > | .258907 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.102569 | 1.11626072 |
| 2 | 3p | 5.001739 | -.15213989 |
| 3 | 2p | 8.590657 | .03898121 |
| 4 | 5p | 8.325514 | .00611384 |
| 5 | 4p | 16.812441 | -.00428050 |
| 6 | 5p | 34.037208 | -.00012235 |
| 7 | 5p | 2.389591 | .00122777 |
| 8 | 3p | 24.369380 | -.00049770 |
| ORB.ENERGY,a.u. | -7.251600 | ||
| NORM | 1.000000 | < R > | .584416 | < R2 > | .415257 | < 1/R > | 2.174918 | < 1/R**2 > | 6.447952 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.721874 | .33543196 |
| 2 | 2s | 3.806107 | -.79499291 |
| 3 | 3s | 5.843260 | -.27428291 |
| 4 | 4s | 20.831797 | .00166180 |
| 5 | 5s | 11.435772 | -.01546628 |
| 6 | 5s | 4.273924 | .02153433 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .658014 | < R2 > | .507854 | < 1/R > | 2.209434 | < 1/R**2 > | 19.780015 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.216500 | .92214915 |
| 2 | 1s | 16.040420 | .08038435 |
| 3 | 2s | 9.076780 | .01629366 |
| 4 | 3s | 11.634266 | -.01587875 |
| 5 | 4s | 57.730779 | -.00006583 |
| 6 | 5s | 25.334748 | .00122245 |
| 7 | 5s | 6.761608 | .00013390 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141852 | < R2 > | .026999 | < 1/R > | 10.653492 | < 1/R**2 > | 229.045778 |
Total Energy= -143.61067456 a.u.
Kinetic Energy= 143.60726914 a.u.
Potential Energy= -287.21794370 a.u.
Virial Ratio = -2.00002371